| CAS Number | 1780628-03-6 |
| Catalog Number | AG01BTG1 |
| Chemical Name | 1-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine |
| IUPAC Name | 1-methyl-2,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepine |
| InChI | InChI=1S/C9H13N3/c1-12-6-5-10-7-8-3-2-4-11-9(8)12/h2-4,10H,5-7H2,1H3 |
| InChI Key | UFQXWWKYVBMLOE-UHFFFAOYSA-N |
| MDL Number | MFCD30185831 |
| Molecular Formula | C9H13N3 |
| Molecular Weight | 163.2196 |
| SMILES | CN1C2=C(C=CC=N2)CNCC1 |
| Synonyms | 1780628-03-6,
1-Methyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine,
ZINC96260838,
1-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.224g/mol |
| Monoisotopic Mass | 163.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number